UCSF

ZINC13524277

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 4.17 -128.04 5 8 1 133 480.632 14
Mid Mid (pH 6-8) 1.90 2.83 -80.43 4 8 0 128 479.624 14

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )